Hydrochloric Acid

Hydrochloric Acid

SCHEMBL21591718

Cl.Clc1ncc2c(n1)CNC2

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C known ✓ P28335 3/20 0.36
HTR2B known ✓ P41595 1/20 0.30
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TYRO3 Q06418 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
JUN P05412 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18818489 0.98 HTR2C (0.37) HTR2CSMN1; SMN2POLBKDM4ETYRO3
Hydrochloric Acid SCHEMBL18550271 0.83 POLB (0.50) HTR2CSMN1; SMN2POLBHTR2B
SCHEMBL12878847 0.81 POLB (0.51) HTR2CSMN1; SMN2POLBHTR2B
SCHEMBL30790976 0.81 POLB (0.51) HTR2CSMN1; SMN2POLBHTR2B
Hydrochloric Acid SCHEMBL2874635 0.76 HTR2C (0.36) HTR2CSMN1; SMN2POLB
SCHEMBL1528492 0.73 HTR2C (0.37) HTR2CSMN1; SMN2POLBHTR2B
SCHEMBL418763 0.73 ALDH1A1 (0.37) HTR2CSMN1; SMN2POLBKDM4E
Hydrochloric Acid SCHEMBL28410160 0.72 HSD17B10 (0.35) HTR2CSMN1; SMN2POLBKDM4E
Hydrochloric Acid SCHEMBL16060483 0.72 HTR2C (0.33) HTR2CSMN1; SMN2POLBKDM4EHTR2B
Hydrochloric Acid SCHEMBL22999918 0.71 GRM5 (0.62)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112955446-B 6-Fluoro-2-methylbenzo [ D ] thiazol-5-yl compounds 伊莱利利公司 2024-07-12 CN disclosed
EP-3807270-B1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN LA ROCHE (CH) 2023-09-13 EP disclosed
US-11713327-B2 Heteroaryl heterocyclyl compounds for the treatment of autoimmune disease HOFFMANN-LA ROCHE INC. (US) 2023-08-01 US disclosed
US-20210300947-A1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2021-09-30 US disclosed
EP-3856739-A1 6-FLUORO-2-METHYLBENZO[D]THIAZOL-5-YL COMPOUNDS Eli Lilly and Company (US) 2021-08-04 EP disclosed
EP-3807270-A1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2021-04-21 EP disclosed
CN-112313228-A Novel heteroaryl heterocyclyl compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2021-02-02 CN disclosed
US-10836773-B1 6-fluoro-2-methylbenzo[d]thiazol-5-yl compounds ELI LILLY AND COMPANY (US) 2020-11-17 US disclosed
US-20200354370-A1 6-Fluoro-2-Methylbenzo[d]thiazol-5-yl Compounds ELI LILLY AND COMPANY 2020-11-12 US disclosed
US-10752632-B2 6-fluoro 2-methylbenzo[d]thiazol-5-yl compounds ELI LILLY AND COMPANY (US) 2020-08-25 US disclosed
WO-2020068530-A1 6-FLUORO-2-METHYLBENZO[D]THIAZOL-5-YL COMPOUNDS ELI LILLY AND COMPANY (US) 2020-04-02 WO disclosed
US-20200095254-A1 6-Fluoro-2-Methylbenzo[d]thiazol-5-yl Compounds ELI LILLY AND COMPANY 2020-03-26 US disclosed
CN-107428762-B Phthalazinone derivatives, preparation method and use thereof 四川科伦博泰生物医药股份有限公司 2020-03-10 CN disclosed
WO-2019238616-A1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2019-12-19 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10752632-B2 6-fluoro 2-methylbenzo[d]thiazol-5-yl compounds MAPT, HTT, TFEB HTR2C 818/4885HTR2B 691/4885SMN1; SMN2 198/4885
US-20200095254-A1 6-Fluoro-2-Methylbenzo[d]thiazol-5-yl Compounds MAPT, HTT, PSEN2 HTR2C 742/4885HTR2B 587/4885SMN1; SMN2 90/4885
US-20200354370-A1 6-Fluoro-2-Methylbenzo[d]thiazol-5-yl Compounds MAPT, HTT, PSEN2 HTR2C 742/4885HTR2B 587/4885SMN1; SMN2 90/4885
US-10836773-B1 6-fluoro-2-methylbenzo[d]thiazol-5-yl compounds MAPT, HTT, PSEN2 HTR2C 742/4885HTR2B 587/4885SMN1; SMN2 90/4885
US-11713327-B2 Heteroaryl heterocyclyl compounds for the treatment of autoimmune disease SSB, UACA, HLA-DRB1 HTR2C 3796/4885HTR2B 4359/4885SMN1; SMN2 2573/4885
US-20210300947-A1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE SSB, UACA, HLA-DRB1 HTR2C 3990/4885HTR2B 4467/4885SMN1; SMN2 2864/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.